5-[1-[(3-chlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[1-[(3-chlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[1-[(3-chlorophenyl)methyl]-2-oxo-3-pyridyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[1-[(3-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[1-[(3-chlorophenyl)methyl]-2-oxopyridin-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[1-(3-chlorobenzyl)-2-keto-3-pyridyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C20H14ClN4OS- MolecularWeight: 393.86936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=CN(C3=O)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=CN(C3=O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H15ClN4OS/c21-15-7-4-6-14(12-15)13-24-11-5-10-17(19(24)26)18-22-23-20(27)25(18)16-8-2-1-3-9-16/h1-12H,13H2,(H,23,27)/p-1